☆12Sep 1, 2025Updated 11 months ago
Alternatives and similar repositories for dielectric-pred
Users that are interested in dielectric-pred are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonons from ML force fields☆24Mar 22, 2026Updated 4 months ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated last year
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Reproduction of CGCNN for predicting material properties☆28Aug 5, 2026Updated last week
- Intelligent Scientific Agent for Materials Design☆24Jun 29, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- ML potentials via transfer learning☆30Jul 28, 2026Updated 2 weeks ago
- Get prediction intervals, confidence intervals, and parameter uncertainties for various machine learning models☆19Feb 9, 2026Updated 6 months ago
- ☆17Jul 23, 2026Updated 3 weeks ago
- High-throughput workflows to calculate surface energies of solids.☆12Jun 24, 2024Updated 2 years ago
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 9 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆17Apr 22, 2025Updated last year
- Generator of polynomial machine learning potentials☆22Updated this week
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 3 years ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆34Oct 2, 2025Updated 10 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Different utilities used by our group☆38Feb 6, 2026Updated 6 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- A cellular automaton for simulation solid state reactions☆18Jul 13, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property pre…☆19Dec 11, 2025Updated 8 months ago
- ☆15Feb 17, 2025Updated last year
- ☆58Updated this week
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 4 months ago
- Database for main group thermochemistry, kinetics and noncovalent interactions (GMTKN55)☆17Jul 16, 2026Updated 3 weeks ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 5 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Aug 6, 2026Updated last week
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- A benchmark for Large Atomistic Models☆20Updated this week
- ☆18Feb 26, 2026Updated 5 months ago
- ☆13Feb 1, 2025Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆34Dec 19, 2024Updated last year
- ☆20Oct 18, 2022Updated 3 years ago